SCHEMBL3321097

SCHEMBL3321097

NC1CC(CF)(CF)Oc2cc(Br)ccc21

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 7/20 0.40
KDM1B Q8NB78 1/20 0.40
CFTR P13569 1/20 0.33
TRPV1 Q8NER1 8/20 0.31
CYP2D6 P10635 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3321090 1.00 KDM1A (0.40) KDM1AKDM1BCFTRTRPV1CYP2D6
Hydrochloric Acid SCHEMBL15021561 0.99 KDM1A (0.39) KDM1AKDM1BCFTRTRPV1
Hydrochloric Acid SCHEMBL15021563 0.99 KDM1A (0.39) KDM1AKDM1BCFTRTRPV1
SCHEMBL3327444 0.84 CFTR (0.45) KDM1ACFTRTRPV1CYP2D6
SCHEMBL3327440 0.84 CFTR (0.45) KDM1ACFTRTRPV1CYP2D6
SCHEMBL3321108 0.82 TRPV1 (0.44) TRPV1CYP2D6
SCHEMBL3321103 0.82 TRPV1 (0.44) TRPV1CYP2D6
SCHEMBL3322858 0.82 CFTR (0.35) CFTRTRPV1CYP2D6
SCHEMBL3322864 0.82 CFTR (0.35) CFTRTRPV1CYP2D6
SCHEMBL15075118 0.82 TRPV1 (0.44) TRPV1CYP2D6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8609692-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-17 US disclosed
US-8604053-B2 TRPV1 antagonists ABBVIE INC. (US) 2013-12-10 US disclosed
US-20100137360-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-06-03 US disclosed
US-20100120846-A1 TRPV1 ANTAGONISTS ABBOTT LABORATORIES (US) 2010-05-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100137360-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KDM1A 3338/4885KDM1B 3558/4885CFTR 257/4885
US-20100120846-A1 TRPV1 ANTAGONISTS TRPV1, TRPV3, TRPV2 KDM1A 3414/4885KDM1B 3679/4885CFTR 247/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.